N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide

C16H23N3O2 — CID 1452761

IUPACN-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-2-6-15(20)19-14-10-9-13(11-17-14)18-16(21)12-7-4-3-5-8-12/h9-12H,2-8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyWMWIEVZGIJQSQW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.34
Rot. Bonds5

About N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide

N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 1452761) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID1452761
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-2-6-15(20)19-14-10-9-13(11-17-14)18-16(21)12-7-4-3-5-8-12/h9-12H,2-8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyWMWIEVZGIJQSQW-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide (CID 1452761) is N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide is CCCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is WMWIEVZGIJQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-6-15(20)19-14-10-9-13(11-17-14)18-16(21)12-7-4-3-5-8-12/h9-12H,2-8H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide?
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 1452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).